5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide

C20H18Cl2F3N3O3S — CID 46244600

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C20H18Cl2F3N3O3S/c1-3-26-16(29)9-27-18(30)17-10(2)4-15(32-17)14-8-19(31-28-14,20(23,24)25)11-5-12(21)7-13(22)6-11/h4-7H,3,8-9H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFKTGZAFRJKXNJC-UHFFFAOYSA-N
MW508.35 g/mol
LogP4.81
Rot. Bonds6

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide (PubChem CID 46244600) has the molecular formula C20H18Cl2F3N3O3S and a molecular weight of 508.35 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
PubChem CID46244600
Molecular FormulaC20H18Cl2F3N3O3S
Molecular Weight508.35 g/mol
Exact Mass507.04
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C20H18Cl2F3N3O3S/c1-3-26-16(29)9-27-18(30)17-10(2)4-15(32-17)14-8-19(31-28-14,20(23,24)25)11-5-12(21)7-13(22)6-11/h4-7H,3,8-9H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFKTGZAFRJKXNJC-UHFFFAOYSA-N
XLogP4.81
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.35
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lotilaner
CID 76959255
Mivorilaner
CID 71472567
(S)-5-[5-(3,4,5-Trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-3-methylthiophene-2-carboxylic acid [(2,2,2-trifluoroethyl carbamoyl) methyl] amide
CID 46244682
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]thiophene-2-carboxamide
CID 46244601
N-[2-[cyano(methyl)amino]-2-oxoethyl]-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophene-2-carboxamide
CID 46244602
5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 46244603
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-[2-sulfanylidene-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 46244604
5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 46244681
N-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-ylmethyl}-propionamide
CID 54766756
N-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-ylmethyl}-2-methylsulfanyl-acetamide
CID 54766757
N-(1-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethyl)-propionamide
CID 54766913
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylthiophene-3-carboxamide
CID 60152785

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide (CID 46244600) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide is CCNC(=O)CNC(=O)c1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is FKTGZAFRJKXNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3O3S/c1-3-26-16(29)9-27-18(30)17-10(2)4-15(32-17)14-8-19(31-28-14,20(23,24)25)11-5-12(21)7-13(22)6-11/h4-7H,3,8-9H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 508.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 46244600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).